Printer Friendly

The fragment molecular orbital method; practical applications to large molecular systems. (CD-ROM included).

9781420078480

The fragment molecular orbital method; practical applications to large molecular systems. (CD-ROM included)

Ed. by Dmitri Fedorov and Kazuo Kitaura.

CRC Press

2009

276 pages

$129.95

Hardcover

QD461

The growing raw power of computers is making electronic structure calculations possible for ever larger molecular systems, and new methods for treating large systems are being developed, most of them based on fragment approaches that boast a venerable career in quantum chemistry. Chemists and other scientists from Japan explain some of the more widely used methods, emphasizing their practical use rather than their theoretical background or mathematical elegance. They include excited state of photo-active proteins by configuration interaction studies, using the fragment molecular orbital (FMO) method to recognize specific bio-macromolecules, FMO in the study of viruses and their binding to receptors, and the chorismate mutase reaction as a case study for modeling a protein environment in an enzymatic catalysis. The disk contains free modeling software, a tutorial, input file samples, and other material.

([c]2009 Book News, Inc., Portland, OR)

COPYRIGHT 2009 Book News, Inc.
No portion of this article can be reproduced without the express written permission from the copyright holder.
Copyright 2009 Gale, Cengage Learning. All rights reserved.

Article Details
Printer friendly Cite/link Email Feedback
Publication:SciTech Book News
Article Type:Book review
Date:Sep 1, 2009
Words:170
Previous Article:Heavy construction; planning, equipment and methods, 3d ed.; 2v.
Next Article:Ottawa lectures on admissible representations of reductive p-adic groups.
Topics:


Related Articles
Chemistry and Chemical Reactivity, 6th ed. (CD-ROM included).
Leukocyte Trafficking: Molecular Mechanisms, Therapeutic Targets, and Methods. (CD-ROM included).
Magnetic resonance imaging; methods and biologic applications. (CD-ROM included).
Fluorescent energy transfer nucleic acid probes; designs and protocols. (CD-ROM included).
High content screening; a powerful approach to systems cell biology and drug discovery (CD-ROM included).
HPLC, a practical user's guide, 2d ed. (CD-ROM included).
Electronic structure modeling; connections between theory and software. (CD-ROM included).
Pathway analysis for drug discovery; computational infrastructure and applications. (CD-ROM included).
Multi-component molecular orbital theory.
Viral applications of green fluorescent protein; methods and protocols. (CD-ROM included).

Terms of use | Privacy policy | Copyright © 2021 Farlex, Inc. | Feedback | For webmasters |